4-(cyclohexylamino)-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(cyclohexylamino)-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(cyclohexylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(cyclohexylamino)-6-(4-methylphenyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(cyclohexylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(cyclohexylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C25H26N4S MolecularWeight: 414.56574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NC4CCCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NC4CCCCC4)C#N

InChI

InChI=1S/C25H26N4S/c1-18-12-14-20(15-13-18)23-22(16-26)24(27-21-10-6-3-7-11-21)29-25(28-23)30-17-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,21H,3,6-7,10-11,17H2,1H3,(H,27,28,29)